2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole

C16H13BrFN — CID 141038403

IUPAC2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole
SMILESCC(c1ccc(Br)cc1F)n1cc2ccccc2c1
InChIInChI=1S/C16H13BrFN/c1-11(15-7-6-14(17)8-16(15)18)19-9-12-4-2-3-5-13(12)10-19/h2-11H,1H3
InChIKeyNQLGRPBOQVMQDI-UHFFFAOYSA-N
MW318.19 g/mol
LogP5.15
Rot. Bonds2

About 2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole

2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole (PubChem CID 141038403) has the molecular formula C16H13BrFN and a molecular weight of 318.19 g/mol. Its IUPAC name is 2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole.

Molecular Properties

Compound Name2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole
PubChem CID141038403
Molecular FormulaC16H13BrFN
Molecular Weight318.19 g/mol
Exact Mass317.02
IUPAC Name2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole
SMILESCC(c1ccc(Br)cc1F)n1cc2ccccc2c1
InChIInChI=1S/C16H13BrFN/c1-11(15-7-6-14(17)8-16(15)18)19-9-12-4-2-3-5-13(12)10-19/h2-11H,1H3
InChIKeyNQLGRPBOQVMQDI-UHFFFAOYSA-N
XLogP5.15
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.19
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 21051092
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(1S)-1-(4-bromo-2-fluorophenyl)-2-methylpropan-1-ol
CID 129371245
N-[1-(4-bromo-2-fluorophenyl)ethyl]pyrrol-1-amine
CID 82964793
1-[1-(4-bromo-2-fluorophenyl)ethyl]azetidine-3-carboxylic acid
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1-[1-(4-bromo-2-fluorophenyl)ethyl]-4-iodopyrazol-5-amine
CID 82963587
4-bromo-1-(1-chloropropan-2-yl)-2-fluorobenzene
CID 82973231
(4-bromo-2-fluorophenyl)-naphthalen-2-ylmethanol
CID 63894323
2-amino-1-(4-bromo-2-fluorophenyl)-3-methylbutan-1-ol
CID 115347554
1-(4-bromo-2-fluorophenyl)-1-(2-fluorophenyl)-N-methylmethanamine
CID 114906280
4-bromo-2-fluoro-1-(1-phenylmethoxyethyl)benzene
CID 139652718
N-[1-(4-bromo-2-fluorophenyl)ethyl]-2-propan-2-ylaniline
CID 82961349

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole?
The IUPAC name of 2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole (CID 141038403) is 2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole.
What is the SMILES notation for 2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole?
The canonical SMILES for 2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole is CC(c1ccc(Br)cc1F)n1cc2ccccc2c1.
What is the InChIKey of 2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole?
The InChIKey is NQLGRPBOQVMQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFN/c1-11(15-7-6-14(17)8-16(15)18)19-9-12-4-2-3-5-13(12)10-19/h2-11H,1H3.
What are the key properties of 2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole?
2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole has a molecular weight of 318.19 g/mol, XLogP of 5.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-bromo-2-fluorophenyl)ethyl]isoindole is sourced from PubChem (CID 141038403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).